19764-31-9

Basic information

• Product Name: 2-acetamido-3-methyl-pentanoic acid
• Synonyms: Isoleucine, N-acetyl-, D-;Nsc203806;(2R,3R)-2-acetamido-3-methylpentanoic acid
• CAS NO: 19764-31-9
• Molecular Formula: C₈H₁₅NO₃
• Molecular Weight: 173.2096
• Mol File: 19764-31-9.mol
• Article Data: 23

Chemical Properties

• Boiling Point: 369.7°Cat760mmHg
• Flash Point: 177.4°C
• Appearance: /
• Density: 1.069g/cm³
• Vapor Pressure: 1.77E-06mmHg at 25°C
• Refractive Index: 1.458
• CAS DataBase Reference: 2-acetamido-3-methyl-pentanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-acetamido-3-methyl-pentanoic acid(19764-31-9)
• EPA Substance Registry System: 2-acetamido-3-methyl-pentanoic acid(19764-31-9)

Safety Data

• Hazardous Substances Data: 19764-31-9(Hazardous Substances Data)

Usage

General Description

The chemical compound "2-acetamido-3-methyl-pentanoic acid" is a derivative of pentanoic acid, with an additional acetamido and methyl group attached to the third carbon atom. It is a white crystalline solid with a molecular formula of C8H15NO3 and a molar mass of 173.21 g/mol. 2-acetamido-3-methyl-pentanoic acid is commonly used in organic synthesis and pharmaceutical research, particularly in the development of new medications. It may also have applications in the field of biochemistry and biotechnology, as it can potentially be used as a building block for more complex molecules with specific biological activities. Additionally, it is important to handle this chemical compound with care, as it may pose various health and safety risks if mishandled.

InChI:InChI=1/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)

Upstream product

• 73-32-5 L-isoleucine 
• 108-24-7 acetic anhydride 
• 64-19-7 acetic acid 
• 1509-35-9 D-alloisoleucine 
• 959215-79-3 (2RS,3S)-2-amino-3-methylpentanoic acid 
• 1565-80-6 (2S)-2-methyl-1-butanol 
• 1730-97-8 (S)-2-methylbutyraldehyde 
• 75-36-5 acetyl chloride 
• 319-78-8 D-Isoleucine 
• 3107-04-8 DL-alloisoleucine 
• 73-32-5 DL-isoleucine 
• 2256-90-8 ethyl N-acetyl-isoleucinate 
• 73-32-5 L-isoleucine 
• 60-35-5 acetamide 

Downstream Products

• 4819-22-1 N-Acetyl-DL-isoleucin-ethylester 
• 319-78-8 D-Isoleucine 
• 312746-55-7 Ac-ISVU(Ph)RSTS 
• 73-32-5 L-isoleucine 
• 857027-07-7 imidazolide 
• 1509-34-8 D-allo-isoleucine 
• 54831-20-8 (2R,3S)-2-acetamido-3-methylpentanoic acid 
• 104045-04-7 N-acetyl-L-isoleucyl-O-benzyl-L-tyrosine methyl ester 
• 1355150-28-5 4-((2S)-2-acetamido-3-methylpentanamido)benzoic acid 
• 1258550-65-0 (S)-4-(2-acetamido-4-methylpentanamido)-N-(3-nitro-4-(2-(phenylthio)ethylamino)phenylsulfonyl)benzamide 
• 1355150-25-2 (S)-ethyl 4-((2S)-2-acetamido-3-methylpentanamido)benzoate 
• 205807-93-8 N-acetyl-L-isoleucyl-L-phenylalanine methyl ester 
• 95253-84-2 N-acetyl-L-isoleucyl-L-phenylalanine 

Relevant articles and documents

Structures and properties of a diastereoisomeric molecular compound of (2S,3S)- and (2R,3S)-N-acetyl-2-amino-3-methylpentanoic acids

An X-ray crystal structural analysis revealed that (2S,3S)-N-acetyl-2- amino-3-methylpentanoic acid (N- acetyl-l-isoleucine; Ac-l-I1e) and (2R,3S)-N-acetyl-2- amino-3-methylpentanoic acid (N-acetyl-d-alloisoleucine; Ac-d-aIle) formed a molecular compound containing one Ac-l-Ile molecule and one Ac-d-aIle molecule as an unsymmetrical unit. This molecular compound is packed with strong hydrogen bonds forming homogeneous chains consisting of Ac-l-Ile molecules or Ac-d- aIle molecules and weak hydrogen bonds connecting these homogeneous chains in a fashion similar to that observed for Ac-l-Ile and Ac-d-aIle. Recrystallization of an approximately 1:1 mixture of Ac-l-Ile and Ac-d-aIle from water gave an equimolar molecular compound due to its lower solubility than that of Ac-d-aIle or especially Ac-l-Ile. The results suggest that the equimolar mixture of Ac-l-Ile and Ac-d-aIle could be obtained from an Ac-l-Ile-excess mixture by recystallization from water.

Bio- And Medicinally Compatible α-Amino-Acid Modification via Merging Photoredox and N-Heterocyclic Carbene Catalysis

An N-heterocyclic carbene and photoredox cocatalyzed α-amino-acid decarboxylative carbonylation reaction is presented. This method displays good scope generality, providing a direct pathway to access various downstream α-amino ketones under bio- and medicinally compatible conditions. Moreover, this strategy is appealing to chemical biology because it has great potential for the chemical modification of peptides or the late-stage synthesis of keto-peptides.

GRANZYME B DIRECTED IMAGING AND THERAPY

Provided herein are heterocyclic compounds useful for imaging Granzyme B. Methods of imaging Granzyme B, combination therapies, and kits comprising the Granzyme B imaging agents are also provided.